[(2R)-1-(2,3-dimethyl-5-methylidene-1H-pyrazol-2-ium-2-yl)-3-phenoxy-propan-2-yl] ethanoate

Systemtic Name: [(2R)-1-(2,3-dimethyl-5-methylidene-1H-pyrazol-2-ium-2-yl)-3-phenoxy-propan-2-yl] ethanoate Openeye Name: [(1R)-1-[(2,3-dimethyl-5-methylene-1H-pyrazol-2-ium-2-yl)methyl]-2-phenoxy-ethyl] acetate CAS Name: acetic acid [(2R)-1-(2,3-dimethyl-5-methylene-1H-pyrazol-2-ium-2-yl)-3-phenoxypropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dimethyl-5-methylidene-1H-pyrazol-2-ium-2-yl)-3-phenoxypropan-2-yl] acetate Traditional Name: acetic acid [(1R)-1-[(1,5-dimethyl-3-methylene-3-pyrazolin-1-ium-1-yl)methyl]-2-phenoxy-ethyl] ester Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C)N[N+]1(C)CC(COC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC1=CC(=C)N[N+]1(C)C[C@H](COC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C17H23N2O3/c1-13-10-14(2)19(4,18-13)11-17(22-15(3)20)12-21-16-8-6-5-7-9-16/h5-10,17-18H,1,11-12H2,2-4H3/q+1/t17-,19?/m1/s1